Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNM1 | Q05193 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL925089 | 0.98 | DNM1 (0.59) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Iodide SCHEMBL5088129 | 0.95 | DNM1 (0.57) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Water SCHEMBL27613448 | 0.95 | HTT (0.58) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Hydrochloric Acid SCHEMBL139563 | 0.95 | ALDH1A1 (0.62) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Hydrochloric Acid SCHEMBL14762882 | 0.95 | ALDH1A1 (0.62) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Bromide SCHEMBL4071102 | 0.95 | DNM1 (0.60) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Water SCHEMBL10667376 | 0.93 | HTT (0.61) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Ammonia Solution, Strong SCHEMBL27810167 | 0.93 | ALDH1A1 (0.60) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Hydrochloric Acid SCHEMBL27795002 | 0.93 | ALDH1A1 (0.60) | DNM1ALDH1A1KDM4ETDP1MEN1 | |
| Hydrochloric Acid SCHEMBL8067974 | 0.91 | KDM4E (0.58) | DNM1ALDH1A1KDM4ETDP1MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0252402-B1 | PROCESS FOR THE PREPARATION OF (2,2)-PARACYCLOPHANE AND DERIVATIVES THEREOF | Montedison S.p.A. (IT) | 1990-05-09 | — | — | EP | claimed |
| EP-0253191-A1 | Process for the preparation of (2,2)-Paracyclophane and derivatives thereof | Montedison S.p.A. (IT) | 1988-01-20 | — | — | EP | claimed |
| CN-114805038-B | Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate | 荆州市天翼精细化工开发有限公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-114805038-A | Synthetic method of poly (p-phenylene ethylene) photoelectric material intermediate | 荆州市天翼精细化工开发有限公司 | 2022-07-29 | — | — | CN | disclosed |
| US-7759446-B2 | Multistage process for preparing organopolysiloxanes comprising aminoalkyl groups | WACKER CHEMIE AG (DE) | 2010-07-20 | — | — | US | disclosed |
| EP-2050777-B1 | Multistage process for preparing organopolysiloxanes comprising aminoalkyl groups | WACKER CHEMIE AG (DE) | 2010-06-16 | — | — | EP | disclosed |
| EP-2050777-A2 | Multistage process for preparing organopolysiloxanes comprising aminoalkyl groups | Wacker Chemie AG (DE) | 2009-04-22 | — | — | EP | disclosed |
| US-20090036618-A1 | Multistage Process for Preparing Organopolysiloxanes Comprising Aminoalkyl Groups | WACKER CHEMIE AG (DE) | 2009-02-05 | — | — | US | disclosed |
| CN-101357993-A | Multi-stage method of preparing organopolysiloxane containing amino alkyl group | WACKER CHEMIE AG (DE) | 2009-02-04 | — | — | CN | disclosed |
| CN-1104260-C | Disposable absorbent articles | NOVAMONT SPA (IT) | 2003-04-02 | — | — | CN | disclosed |
| EP-0609455-B1 | PROCESS FOR PRODUCING CRESOLS | SUMITOMO CHEMICAL CO (JP) | 1998-03-11 | — | — | EP | disclosed |
| CN-1071588-A | Disposable adsorption object | NOVAMONT SPA (IT) | 1993-05-05 | — | — | CN | disclosed |
| EP-0291889-A1 | Process for the preparation of dichloro-[2,2] paracyclophane | UNION CARBIDE CORPORATION (US) | 1988-11-23 | — | — | EP | disclosed |
| EP-0252402-A1 | Process for the preparation of (2,2)-paracyclophane and derivatives thereof | Montedison S.p.A. (IT) | 1988-01-13 | — | — | EP | disclosed |
| US-4652662-A | Process for preparing organofunctional organopolysiloxanes | WACKER-CHEMIE GMBH (DE) | 1987-03-24 | — | — | US | disclosed |
| US-4577040-A | Method for preparing diorganopolysiloxanes containing fluoroalkyl groups | WACKER-CHEMIE GMBH (DE) | 1986-03-18 | — | — | US | disclosed |
| US-3948981-A | PROSTAGLANDIN | THE UPJOHN COMPANY (US) | 1976-04-06 | — | — | US | disclosed |
| US-3933891-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |
| US-3931284-A | 11β-PGE2 compounds | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |
| US-3931283-A | PROSTAGLANDINS | THE UPJOHN COMPANY (US) | 1976-01-06 | — | — | US | disclosed |